3-[(2-methylpropyl)amino]-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-[(2-methylpropyl)amino]-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
3-[(2-methylpropyl)amino]-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | D531-0656 |
| Compound Name: | 3-[(2-methylpropyl)amino]-1,1-dioxo-1H-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 280.34 |
| Molecular Formula: | C13 H16 N2 O3 S |
| Smiles: | CC(C)CNC1=C(C(N)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8467 |
| logD: | 0.8466 |
| logSw: | -2.241 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.269 |
| InChI Key: | MCKQWSMCFDITQY-UHFFFAOYSA-N |